JTE-013 (CHEBI:195541)

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ChEBI Name	JTE-013

ChEBI ID	CHEBI:195541

Definition	A semicarbazide derivative that is semicarbazide in which the amino group at position 2 is replaced by a [1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]amino group and the amino group adjacent to the carbonyl is replaced by a (2,6-dichloropyridin-4-yl)amino group. It is a potent S1P2 antagonist (IC₅₀ = 17.6 nM).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Jonathan Muyskens

Secondary ChEBI IDs	CHEBI:92763

Supplier Information

Download	Molfile XML SDF

Formula

C17H19Cl2N7O

Net Charge

Average Mass

408.290

Monoisotopic Mass

407.10281

InChI

InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)

InChIKey

RNSLRQNDXRSASX-UHFFFAOYSA-N

SMILES

CC(C)C1=C2C(C)=NN(C)C2=NC(NNC(=O)NC2=CC(Cl)=NC(Cl)=C2)=C1

Roles Classification
Biological Role(s):	sphingosine-1-phosphate receptor 2 antagonist Any sphingosine-1-phosphate receptor (S1PR) antagonist that acts as an antagonist for the subtype 2 receptors (S1PR2). osteogenesis regulator Any compound that induces or regulates osteogenesis.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects. pro-angiogenic agent Any compound that promotes the growth of new blood vessels from pre-existing vessels. anti-asthmatic agent Any compound that has anti-asthmatic effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	JTE-013 (CHEBI:195541) has functional parent semicarbazide (CHEBI:28306) JTE-013 (CHEBI:195541) has role anti-asthmatic agent (CHEBI:65023) JTE-013 (CHEBI:195541) has role anti-inflammatory agent (CHEBI:67079) JTE-013 (CHEBI:195541) has role antineoplastic agent (CHEBI:35610) JTE-013 (CHEBI:195541) has role osteogenesis regulator (CHEBI:63054) JTE-013 (CHEBI:195541) has role pro-angiogenic agent (CHEBI:72571) JTE-013 (CHEBI:195541) has role sphingosine-1-phosphate receptor 2 antagonist (CHEBI:195542) JTE-013 (CHEBI:195541) is a chloropyridine (CHEBI:39173) JTE-013 (CHEBI:195541) is a pyrazolopyridine (CHEBI:46699)

IUPAC Name

N-(2,6-dichloropyridin-4-yl)-2-[1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]hydrazinecarboxamide

Synonyms	Sources
1-(2,6-dichloro-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-yl-6-pyrazolo[3,4-b]pyridinyl)amino]urea	ChEBI
1-[1,3-dimethyl-4-(2-methylethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]-4-(2,6-dichloro-4-pyridinyl)-semicarbazide	ChEBI
JTE 013	SUBMITTER
JTE013	ChEBI
N-(2,6-dichloropyridin-4-yl)-2-[1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]hydrazine-1-carboxamide	IUPAC

Registry Number	Type	Source
383150-41-2	CAS Registry Number	ChEBI

Last Modified

10 August 2023